Cas no 68776-45-4 (2-hydroxyalantolactone)
2-hydroxyalantolactone structure
Product Name:2-hydroxyalantolactone
CAS No:68776-45-4
MF:C15H20O3
MW:248.317504882813
CID:972025
PubChem ID:4039117
Update Time:2025-04-19
2-hydroxyalantolactone Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxyalantolactone
- NCGC00179964-01
- 2Alpha-Hydroxyantolactone
- MEGxp0_001639
- CHEBI:190859
- 7-Hydroxy-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
- AKOS040734515
- 68776-45-4
- ACon1_001960
- CHEMBL486020
- NCGC00179964-02
- (3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
- 2alpha-Hydroxyalantolactone
- (3aR-(3aalpha,5beta,7alpha,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a-Octahydro-7-hydroxy-5,8a-dimethyl-3-methylenenaphtho(2,3-b)furan-2(3H)-one
- DTXSID50988485
- Naphtho(2,3-b)furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-5,8a-dimethyl-3-methylene-, (3aR-(3aalpha,5beta,7alpha,8abeta,9aalpha))-
- (3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
- 7-hydroxy-5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
- 2a-Hydroxyalantolactone
- 2alpha-Hydroxy alantolactone
-
- Inchi： 1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3/t8-,10-,11+,13+,15+/m0/s1
- InChI Key： FZSKLHDEGWSLTB-ATYMOLOSSA-N
- SMILES： O1C(C(=C)[C@H]2C=C3[C@@H](C)C[C@@H](C[C@]3(C)C[C@@H]12)O)=O
Computed Properties
- Exact Mass: 248.1413
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 451
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-hydroxyalantolactone Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
68776-45-4 (2-hydroxyalantolactone) Related Products
- 546-43-0(Alantolactone)
- 115753-79-2(2(3H)-Furanone,dihydro-3-[2-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl]ethylidene]-,(3E)-)
- 470-17-7(Isoalantolactone)
- 64340-41-6(Naphtho[2,3-b]furan-2(3H)-one,3a,4,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,8aR,9aR)-)
- 4290-13-5(Santamarine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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